CID 9644601

4-(2-(4-(benzyloxy)benzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C31H26N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C31H26N2O5/c1-36-29-20-25(12-18-28(29)38-30(34)19-13-23-8-4-2-5-9-23)21-32-33-31(35)26-14-16-27(17-15-26)37-22-24-10-6-3-7-11-24/h2-21H,22H2,1H3,(H,33,35)/b19-13+,32-21+
InChIKey
OUYJWTSXFXKGQC-NENKLWHESA-N
Compound name
[2-methoxy-4-[(E)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.18417 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.19145 225.2
[M+Na]+ 529.17339 227.6
[M-H]- 505.17689 237.6
[M+NH4]+ 524.21799 229.7
[M+K]+ 545.14733 222.6
[M+H-H2O]+ 489.18143 211.4
[M+HCOO]- 551.18237 248.7
[M+CH3COO]- 565.19802 246.8
[M+Na-2H]- 527.15884 226.1
[M]+ 506.18362 228.1
[M]- 506.18472 228.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.